N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

C22H16N4OS2 — CID 4877017

IUPACN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1
InChIInChI=1S/C22H16N4OS2/c1-14-19(29-21(23-14)16-5-3-2-4-6-16)20(27)24-17-9-7-15(8-10-17)18-13-26-11-12-28-22(26)25-18/h2-13H,1H3,(H,24,27)
InChIKeyISLIDAXCJNGPGJ-UHFFFAOYSA-N
MW416.53 g/mol
LogP5.75
Rot. Bonds4

About N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 4877017) has the molecular formula C22H16N4OS2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID4877017
Molecular FormulaC22H16N4OS2
Molecular Weight416.53 g/mol
Exact Mass416.08
IUPAC NameN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1
InChIInChI=1S/C22H16N4OS2/c1-14-19(29-21(23-14)16-5-3-2-4-6-16)20(27)24-17-9-7-15(8-10-17)18-13-26-11-12-28-22(26)25-18/h2-13H,1H3,(H,24,27)
InChIKeyISLIDAXCJNGPGJ-UHFFFAOYSA-N
XLogP5.75
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.53
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 24661436
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CID 37039072
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 121031637
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbenzamide
CID 852128
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxybenzamide
CID 3651637
(3R)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-phenylbutanamide
CID 25346335
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 90626025
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 40722977
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-nitrobenzamide
CID 3254217
N-(2-hydroxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 46666287
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)butanamide
CID 852131
N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (CID 4877017) is N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1.
What is the InChIKey of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is ISLIDAXCJNGPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4OS2/c1-14-19(29-21(23-14)16-5-3-2-4-6-16)20(27)24-17-9-7-15(8-10-17)18-13-26-11-12-28-22(26)25-18/h2-13H,1H3,(H,24,27).
What are the key properties of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 5.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 4877017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).